# generated using pymatgen data_Hf3Ti3Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48962069 _cell_length_b 9.48962072 _cell_length_c 5.77558528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999990 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf3Ti3Sn5 _chemical_formula_sum 'Hf6 Ti6 Sn10' _cell_volume 450.42692245 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 0.84528595 0.69057190 0.75000000 1.0 Hf Hf1 1 0.15471405 0.84528595 0.25000000 1.0 Hf Hf2 1 0.69057190 0.84528595 0.25000000 1.0 Hf Hf3 1 0.30942810 0.15471405 0.75000000 1.0 Hf Hf4 1 0.84528595 0.15471405 0.75000000 1.0 Hf Hf5 1 0.15471405 0.30942810 0.25000000 1.0 Ti Ti6 1 0.50000000 0.00000000 0.50000000 1.0 Ti Ti7 1 0.50000000 0.50000000 0.00000000 1.0 Ti Ti8 1 0.00000000 0.50000000 0.00000000 1.0 Ti Ti9 1 0.00000000 0.50000000 0.50000000 1.0 Ti Ti10 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti11 1 0.50000000 0.50000000 0.50000000 1.0 Sn Sn12 1 0.21051343 0.42102685 0.75000000 1.0 Sn Sn13 1 0.78948657 0.21051343 0.25000000 1.0 Sn Sn14 1 0.42102685 0.21051343 0.25000000 1.0 Sn Sn15 1 0.57897315 0.78948657 0.75000000 1.0 Sn Sn16 1 0.21051343 0.78948657 0.75000000 1.0 Sn Sn17 1 0.78948657 0.57897315 0.25000000 1.0 Sn Sn18 1 0.66666700 0.33333300 0.75000000 1.0 Sn Sn19 1 0.33333300 0.66666700 0.25000000 1.0 Sn Sn20 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn21 1 0.00000000 0.00000000 0.00000000 1.0